8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-4-keto-chromen-7-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)[O-])OC

InChI

InChI=1S/C24H27NO5/c1-28-21-10-7-16(13-22(21)29-2)19-15-30-24-17(23(19)27)8-9-20(26)18(24)14-25-11-5-3-4-6-12-25/h7-10,13,15,26H,3-6,11-12,14H2,1-2H3